2-[4-[7-methoxy-6-(methylcarbamoylamino)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide

C23H23N5O5 — CID 155791985

IUPAC2-[4-[7-methoxy-6-(methylcarbamoylamino)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
SMILESCNC(=O)Nc1cc2c(Oc3ccc(C4CC4(C(N)=O)C(N)=O)cc3)ccnc2cc1OC
InChIInChI=1S/C23H23N5O5/c1-26-22(31)28-17-9-14-16(10-19(17)32-2)27-8-7-18(14)33-13-5-3-12(4-6-13)15-11-23(15,20(24)29)21(25)30/h3-10,15H,11H2,1-2H3,(H2,24,29)(H2,25,30)(H2,26,28,31)
InChIKeyWRDSDXCUTZFKIW-UHFFFAOYSA-N
MW449.47 g/mol
LogP2.23
Rot. Bonds7

About 2-[4-[7-methoxy-6-(methylcarbamoylamino)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide

2-[4-[7-methoxy-6-(methylcarbamoylamino)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide (PubChem CID 155791985) has the molecular formula C23H23N5O5 and a molecular weight of 449.47 g/mol. Its IUPAC name is 2-[4-[7-methoxy-6-(methylcarbamoylamino)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name2-[4-[7-methoxy-6-(methylcarbamoylamino)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
PubChem CID155791985
Molecular FormulaC23H23N5O5
Molecular Weight449.47 g/mol
Exact Mass449.17
IUPAC Name2-[4-[7-methoxy-6-(methylcarbamoylamino)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
SMILESCNC(=O)Nc1cc2c(Oc3ccc(C4CC4(C(N)=O)C(N)=O)cc3)ccnc2cc1OC
InChIInChI=1S/C23H23N5O5/c1-26-22(31)28-17-9-14-16(10-19(17)32-2)27-8-7-18(14)33-13-5-3-12(4-6-13)15-11-23(15,20(24)29)21(25)30/h3-10,15H,11H2,1-2H3,(H2,24,29)(H2,25,30)(H2,26,28,31)
InChIKeyWRDSDXCUTZFKIW-UHFFFAOYSA-N
XLogP2.23
TPSA158.66 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 52.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[4-[7-(2-hydroxyethoxy)-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 155791988
2-[4-[6-(1H-imidazol-2-yl)-7-methoxyquinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 155791980
2-[4-[7-methoxy-6-[(1-methylazetidin-3-yl)carbamoyl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 155792000
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-methylurea
CID 23084603
2-[4-[7-(2-hydroxyethoxycarbamoyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 155791973
2-[4-[7-(6-methyl-3-pyridinyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 167343274
1-(2,5-dimethoxyphenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]urea
CID 22132728
1-[2-fluoro-4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-3-methylurea
CID 70953580
2-[4-(7-pyrimidin-4-ylquinolin-4-yl)oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 167343268
2-[4-[[7-methoxy-6-(2-methylpyrazol-3-yl)-1,5-naphthyridin-4-yl]oxy]phenyl]cyclopropane-1,1-dicarboxamide
CID 155791769
2-[4-[7-(5-fluoro-3-pyridinyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 167343307
2-[4-[7-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 167343249

Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-methoxy-6-(methylcarbamoylamino)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 2-[4-[7-methoxy-6-(methylcarbamoylamino)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide (CID 155791985) is 2-[4-[7-methoxy-6-(methylcarbamoylamino)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 2-[4-[7-methoxy-6-(methylcarbamoylamino)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 2-[4-[7-methoxy-6-(methylcarbamoylamino)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide is CNC(=O)Nc1cc2c(Oc3ccc(C4CC4(C(N)=O)C(N)=O)cc3)ccnc2cc1OC.
What is the InChIKey of 2-[4-[7-methoxy-6-(methylcarbamoylamino)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is WRDSDXCUTZFKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O5/c1-26-22(31)28-17-9-14-16(10-19(17)32-2)27-8-7-18(14)33-13-5-3-12(4-6-13)15-11-23(15,20(24)29)21(25)30/h3-10,15H,11H2,1-2H3,(H2,24,29)(H2,25,30)(H2,26,28,31).
What are the key properties of 2-[4-[7-methoxy-6-(methylcarbamoylamino)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide?
2-[4-[7-methoxy-6-(methylcarbamoylamino)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 449.47 g/mol, XLogP of 2.23, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-methoxy-6-(methylcarbamoylamino)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 155791985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).